[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C114H109ClFN17O9S2 — CID 159307700

About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 159307700) has the molecular formula C114H109ClFN17O9S2 and a molecular weight of 1979.82 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
• PubChem CID: 159307700
• Molecular Formula: C114H109ClFN17O9S2
• Molecular Weight: 1979.82 g/mol
• Exact Mass: 1977.77
• IUPAC Name: [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
• SMILES: COCC(=O)N1CCN(Cc2c(-c3ccc(C)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)c3cccs3)CC2)c1.CS(=O)(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C31H26ClN5O3.C30H28N4O2S.C28H30N4O2.C25H25FN4O2S/c32-26-12-9-23(10-13-26)30-28(36-20-25(11-14-29(36)33-30)22-5-2-1-3-6-22)21-34-15-17-35(18-16-34)31(38)24-7-4-8-27(19-24)37(39)40;1-36-25-10-5-9-23(19-25)29-26(21-32-14-16-33(17-15-32)30(35)27-11-6-18-37-27)34-20-24(12-13-28(34)31-29)22-7-3-2-4-8-22;1-21-8-10-23(11-9-21)28-25(19-30-14-16-31(17-15-30)27(33)20-34-2)32-18-24(12-13-26(32)29-28)22-6-4-3-5-7-22;1-33(31,32)29-15-13-28(14-16-29)18-23-25(20-7-10-22(26)11-8-20)27-24-12-9-21(17-30(23)24)19-5-3-2-4-6-19/h1-14,19-20H,15-18,21H2;2-13,18-20H,14-17,21H2,1H3;3-13,18H,14-17,19-20H2,1-2H3;2-12,17H,13-16,18H2,1H3
• InChIKey: DBYRPTQXWFOHCV-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 242.07 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1979.82
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 159307700) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is COCC(=O)N1CCN(Cc2c(-c3ccc(C)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)c3cccs3)CC2)c1.CS(=O)(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The InChIKey is DBYRPTQXWFOHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN5O3.C30H28N4O2S.C28H30N4O2.C25H25FN4O2S/c32-26-12-9-23(10-13-26)30-28(36-20-25(11-14-29(36)33-30)22-5-2-1-3-6-22)21-34-15-17-35(18-16-34)31(38)24-7-4-8-27(19-24)37(39)40;1-36-25-10-5-9-23(19-25)29-26(21-32-14-16-33(17-15-32)30(35)27-11-6-18-37-27)34-20-24(12-13-28(34)31-29)22-7-3-2-4-8-22;1-21-8-10-23(11-9-21)28-25(19-30-14-16-31(17-15-30)27(33)20-34-2)32-18-24(12-13-26(32)29-28)22-6-4-3-5-7-22;1-33(31,32)29-15-13-28(14-16-29)18-23-25(20-7-10-22(26)11-8-20)27-24-12-9-21(17-30(23)24)19-5-3-2-4-6-19/h1-14,19-20H,15-18,21H2;2-13,18-20H,14-17,21H2,1H3;3-13,18H,14-17,19-20H2,1-2H3;2-12,17H,13-16,18H2,1H3.

What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 1979.82 g/mol, XLogP of 20.04, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone;2-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;2-methoxy-1-[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 159307700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).